(3-chlorophenyl)-[(3S)-1-(3-phenylprop-2-ynyl)piperidin-1-ium-3-yl]methanone

Systemtic Name: (3-chlorophenyl)-[(3S)-1-(3-phenylprop-2-ynyl)piperidin-1-ium-3-yl]methanone Openeye Name: (3-chlorophenyl)-[(3S)-1-(3-phenylprop-2-ynyl)piperidin-1-ium-3-yl]methanone CAS Name: (3-chlorophenyl)-[(3S)-1-(3-phenylprop-2-ynyl)-3-piperidin-1-iumyl]methanone IUPAC Name: (3-chlorophenyl)-[(3S)-1-(3-phenylprop-2-ynyl)piperidin-1-ium-3-yl]methanone Traditional Name: (3-chlorophenyl)-[(3S)-1-(3-phenylprop-2-ynyl)piperidin-1-ium-3-yl]methanone Formula: C21H21ClNO+ MolecularWeight: 338.85054

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC#CC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC#CC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H20ClNO/c22-20-12-4-10-18(15-20)21(24)19-11-6-14-23(16-19)13-5-9-17-7-2-1-3-8-17/h1-4,7-8,10,12,15,19H,6,11,13-14,16H2/p+1/t19-/m0/s1